4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole

C6H9N3 — CID 89360125

IUPAC4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole
SMILESC/C=C\c1n[nH]nc1C
InChIInChI=1S/C6H9N3/c1-3-4-6-5(2)7-9-8-6/h3-4H,1-2H3,(H,7,8,9)/b4-3-
InChIKeyNUGLQTPNCWPADR-ARJAWSKDSA-N
MW123.16 g/mol
LogP1.15
Rot. Bonds1

About 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole

4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole (PubChem CID 89360125) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole.

Molecular Properties

Compound Name4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole
PubChem CID89360125
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole
SMILESC/C=C\c1n[nH]nc1C
InChIInChI=1S/C6H9N3/c1-3-4-6-5(2)7-9-8-6/h3-4H,1-2H3,(H,7,8,9)/b4-3-
InChIKeyNUGLQTPNCWPADR-ARJAWSKDSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole?
The IUPAC name of 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole (CID 89360125) is 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole.
What is the SMILES notation for 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole?
The canonical SMILES for 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole is C/C=C\c1n[nH]nc1C.
What is the InChIKey of 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole?
The InChIKey is NUGLQTPNCWPADR-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-4-6-5(2)7-9-8-6/h3-4H,1-2H3,(H,7,8,9)/b4-3-.
What are the key properties of 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole?
4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole has a molecular weight of 123.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(Z)-prop-1-enyl]-2H-triazole is sourced from PubChem (CID 89360125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).